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15 Replies
5949 Views |
September 28, 2021, 06:52:03 PMby rshukre |
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Error in connectivity
Started by shabnam naderlou |
7 Replies
5505 Views |
September 29, 2018, 06:50:46 AM by David Dubbeldam |
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7 Replies
4101 Views |
April 23, 2019, 02:02:41 PM by petersbk |
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CIF files help
Started by petersbk |
3 Replies
3799 Views |
July 06, 2019, 04:24:19 PM by David Dubbeldam |
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ChargeFromChargeEquilibration
Started by anne |
4 Replies
3687 Views |
January 28, 2019, 07:57:40 PM by David Dubbeldam |
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4 Replies
3482 Views |
March 22, 2018, 02:47:47 AM by Junran Lu |
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The flexibility of IRMOF-1
Started by zjuhjx |
3 Replies
2921 Views |
May 14, 2018, 08:18:21 AM by zjuhjx |
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3 Replies
2905 Views |
June 04, 2018, 01:39:19 PM by Pezhman Zarabadi-Poor |
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Error while using "Grid" option
Started by Vardhan |
3 Replies
2808 Views |
November 12, 2018, 11:42:57 AM by David Dubbeldam |
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1_2_ethanediol TraPPE modell
Started by Christopher |
6 Replies
2759 Views |
November 04, 2020, 11:02:53 AM by Christopher |
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Question on Pseudo_atom.def
Started by Junran Lu |
1 Replies
2684 Views |
April 25, 2018, 05:59:16 PM by David Dubbeldam |
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chemical potential in input file
Started by ae213 |
2 Replies
2598 Views |
October 01, 2018, 08:06:52 PM by ae213 |
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Charge equilibration for MOFs
Started by ignas |
3 Replies
2496 Views |
October 24, 2020, 08:59:20 PM by behra |
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1 Replies
2493 Views |
April 25, 2018, 06:00:05 PM by David Dubbeldam |
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MoleculeDefinition--critical constants
Started by Junran Lu |
3 Replies
2404 Views |
April 13, 2018, 09:14:46 AM by David Dubbeldam |
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Minimization
Started by Junran Lu |
2 Replies
2386 Views |
April 10, 2018, 04:35:53 AM by Junran Lu |
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turning on polarizability
Started by lifesmiel |
1 Replies
2222 Views |
March 28, 2018, 09:18:16 PM by David Dubbeldam |
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Change input file when restart
Started by Haolong |
4 Replies
2186 Views |
January 10, 2021, 03:34:49 PM by mhaeri |
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BarrierCrossing examples?
Started by haoyuan |
1 Replies
2134 Views |
May 08, 2018, 01:38:05 PM by David Dubbeldam |
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3 Replies
2124 Views |
July 14, 2020, 12:55:30 PM by dubbelda |
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